CID 77008

2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-ethoxy-

Structural Information

Molecular Formula
C8H17NO4Si
SMILES
CCO[Si]12OCCN(CCO1)CCO2
InChI
InChI=1S/C8H17NO4Si/c1-2-10-14-11-6-3-9(4-7-12-14)5-8-13-14/h2-8H2,1H3
InChIKey
RAQAYUJGWWHPLN-UHFFFAOYSA-N
Compound name
1-ethoxy-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

44
Patents

219.09268 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09996 114.6
[M+Na]+ 242.08190 114.7
[M-H]- 218.08540 114.6
[M+NH4]+ 237.12650 114.7
[M+K]+ 258.05584 114.7
[M+H-H2O]+ 202.08994 114.6
[M+HCOO]- 264.09088 114.6
[M+CH3COO]- 278.10653 114.6
[M+Na-2H]- 240.06735 114.5
[M]+ 219.09213 114.6
[M]- 219.09323 114.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe